Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2zzk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 1.A ND2 LYS 162.A O no hydrogen 3.550 N/A LYS 3.A NZ ASP 161.A O no hydrogen 2.909 N/A GLU 5.A N ASN 1.A O no hydrogen 3.017 N/A ARG 6.A N VAL 2.A O no hydrogen 3.256 N/A ARG 7.A N LYS 3.A O no hydrogen 2.827 N/A LYS 8.A N GLN 4.A O no hydrogen 3.133 N/A LYS 8.A NZ ASP 12.A OD2 no hydrogen 3.367 N/A LYS 9.A N GLU 5.A O no hydrogen 3.131 N/A LYS 9.A NZ TYR 10.A OH no hydrogen 3.252 N/A TYR 10.A N ARG 6.A O no hydrogen 3.223 N/A ALA 11.A N ARG 7.A O no hydrogen 2.751 N/A ASP 12.A N LYS 8.A O no hydrogen 2.952 N/A ALA 14.A N TYR 10.A O no hydrogen 2.939 N/A ILE 15.A N ASP 12.A O no hydrogen 2.962 N/A GLN 16.A N ASP 12.A O no hydrogen 3.313 N/A GLY 17.A N ALA 14.A O no hydrogen 3.357 N/A THR 18.A N ILE 15.A O no hydrogen 2.886 N/A THR 18.A OG1 ALA 14.A O no hydrogen 3.320 N/A THR 18.A OG1 ILE 15.A O no hydrogen 2.928 N/A ASN 20.A N ASN 19.A OD1 no hydrogen 2.764 N/A SER 21.A OG THR 18.A O no hydrogen 2.881 N/A SER 21.A OG ASN 19.A O no hydrogen 3.472 N/A SER 25.A N SER 21.A O no hydrogen 3.295 N/A SER 25.A OG SER 21.A O no hydrogen 3.300 N/A LYS 26.A N SER 22.A O no hydrogen 2.972 N/A LYS 26.A NZ GLU 212.A OE1 no hydrogen 3.138 N/A LYS 26.A NZ GLU 212.A OE2 no hydrogen 3.108 N/A ARG 27.A N ILE 23.A O no hydrogen 2.911 N/A ARG 27.A NE VAL 59.A O no hydrogen 2.895 N/A ARG 27.A NE PRO 60.A O no hydrogen 3.344 N/A ARG 27.A NH1 GLU 30.A OE1 no hydrogen 2.639 N/A ARG 27.A NH1 GLU 53.A OE2 no hydrogen 2.877 N/A ARG 27.A NH2 PRO 60.A O no hydrogen 2.911 N/A SER 28.A N ALA 24.A O no hydrogen 3.106 N/A SER 28.A OG ASN 70.A OD1 no hydrogen 2.744 N/A VAL 29.A N SER 25.A O no hydrogen 3.244 N/A GLU 30.A N LYS 26.A O no hydrogen 2.772 N/A LEU 31.A N ARG 27.A O no hydrogen 2.913 N/A LEU 31.A N SER 28.A O no hydrogen 3.104 N/A LEU 32.A N SER 28.A O no hydrogen 3.044 N/A TYR 33.A N VAL 29.A O no hydrogen 2.912 N/A TYR 33.A OH GLU 316.A OE1 no hydrogen 2.782 N/A LEU 34.A N VAL 29.A O no hydrogen 3.122 N/A LYS 36.A N TYR 33.A O no hydrogen 3.128 N/A LYS 36.A NZ VAL 315.A O no hydrogen 2.912 N/A SER 38.A N GLU 311.A OE1 no hydrogen 3.354 N/A SER 38.A N GLU 311.A OE2 no hydrogen 3.190 N/A SER 38.A OG GLU 311.A OE1 no hydrogen 3.187 N/A SER 38.A OG GLU 311.A OE2 no hydrogen 2.964 N/A ALA 40.A N SER 39.A OG no hydrogen 2.548 N/A ASN 41.A N SER 38.A O no hydrogen 2.917 N/A ASN 41.A ND2 THR 308.A OG1 no hydrogen 2.567 N/A ASN 42.A N SER 39.A O no hydrogen 3.065 N/A GLN 44.A NE2 GLU 30.A OE2 no hydrogen 3.436 N/A GLN 44.A NE2 LEU 52.A O no hydrogen 2.607 N/A MET 45.A N ASN 118.A OD1 no hydrogen 3.404 N/A ASP 46.A N LYS 50.A O no hydrogen 2.865 N/A ASN 49.A N ASP 46.A O no hydrogen 3.045 N/A LYS 50.A N ASP 46.A OD1 no hydrogen 2.720 N/A LEU 52.A N GLN 44.A O no hydrogen 3.057 N/A TYR 54.A N GLU 30.A OE2 no hydrogen 2.715 N/A TYR 54.A OH ASP 115.A OD2 no hydrogen 2.625 N/A PHE 55.A N GLU 30.A OE2 no hydrogen 2.877 N/A PHE 57.A N TYR 54.A O no hydrogen 2.877 N/A PHE 58.A N PHE 55.A O no hydrogen 3.307 N/A VAL 59.A N PHE 55.A O no hydrogen 2.941 N/A ARG 65.A NE SER 25.A OG no hydrogen 3.007 N/A ARG 65.A NH1 LYS 64.A O no hydrogen 3.272 N/A ARG 65.A NH2 ASN 19.A OD1 no hydrogen 3.369 N/A CYS 68.A SG GLU 320.A O no hydrogen 4.042 N/A ILE 69.A N SER 66.A OG no hydrogen 3.381 N/A ASN 70.A N SER 66.A O no hydrogen 3.154 N/A ASN 70.A ND2 GLU 316.A OE1 no hydrogen 3.426 N/A ARG 71.A N PRO 67.A O no hydrogen 3.480 N/A ARG 71.A NH1 GLN 551.A OE1 no hydrogen 2.795 N/A ARG 71.A NH2 GLN 551.A OE1 no hydrogen 2.708 N/A GLY 72.A N CYS 68.A O no hydrogen 3.190 N/A TYR 73.A N ILE 69.A O no hydrogen 3.013 N/A TRP 74.A N ASN 70.A O no hydrogen 2.793 N/A LEU 75.A N ARG 71.A O no hydrogen 2.889 N/A ARG 76.A NE GLU 212.A OE2 no hydrogen 3.291 N/A LEU 77.A N TYR 73.A O no hydrogen 3.228 N/A PHE 78.A N TRP 74.A O no hydrogen 2.982 N/A ILE 80.A N ARG 76.A O no hydrogen 3.516 N/A ARG 81.A N LEU 77.A O no hydrogen 3.051 N/A ARG 81.A NH1 GLN 120.A O no hydrogen 2.961 N/A ARG 81.A NH2 PHE 43.A O no hydrogen 3.426 N/A ARG 81.A NH2 GLN 112.A OE1 no hydrogen 2.870 N/A SER 82.A N PHE 78.A O no hydrogen 2.990 N/A SER 82.A OG PHE 78.A O no hydrogen 3.001 N/A SER 82.A OG ALA 79.A O no hydrogen 3.040 N/A ARG 83.A N ALA 79.A O no hydrogen 3.338 N/A ARG 83.A NE SER 82.A OG no hydrogen 2.836 N/A ARG 83.A NH1 SER 82.A OG no hydrogen 2.948 N/A ARG 83.A NH2 PHE 348.A O no hydrogen 3.085 N/A LEU 84.A N ILE 80.A O no hydrogen 2.900 N/A ASN 85.A N ARG 81.A O no hydrogen 2.961 N/A SER 86.A N SER 82.A O no hydrogen 3.101 N/A SER 86.A OG SER 82.A O no hydrogen 3.562 N/A SER 86.A OG ARG 83.A O no hydrogen 2.626 N/A ILE 87.A N ARG 83.A O no hydrogen 3.240 N/A ILE 88.A N LEU 84.A O no hydrogen 2.981 N/A GLU 89.A N ASN 85.A O no hydrogen 2.809 N/A THR 91.A N ILE 87.A O no hydrogen 3.083 N/A THR 91.A OG1 ILE 87.A O no hydrogen 3.275 N/A LYS 95.A N PRO 92.A O no hydrogen 3.124 N/A ILE 97.A N ARG 127.A O no hydrogen 3.089 N/A VAL 98.A N VAL 206.A O no hydrogen 2.817 N/A VAL 99.A N SER 129.A O no hydrogen 2.870 N/A VAL 100.A N VAL 208.A O no hydrogen 2.879 N/A ASN 101.A N ILE 131.A O no hydrogen 3.012 N/A ASN 101.A ND2 ASP 107.A OD2 no hydrogen 3.454 N/A LEU 102.A N VAL 210.A O no hydrogen 2.810 N/A GLY 103.A N ILE 133.A O no hydrogen 2.723 N/A CYS 104.A N ILE 133.A O no hydrogen 3.205 N/A CYS 104.A SG GLY 105.A O no hydrogen 3.564 N/A CYS 104.A SG ILE 133.A O no hydrogen 3.688 N/A GLY 105.A N ASP 134.A OD2 no hydrogen 3.146 N/A ASP 107.A N CYS 104.A O no hydrogen 3.089 N/A LEU 109.A N ASP 107.A OD1 no hydrogen 2.754 N/A PHE 111.A N PRO 108.A O no hydrogen 2.882 N/A GLN 112.A N PRO 108.A O no hydrogen 3.157 N/A GLN 112.A NE2 GLN 44.A OE1 no hydrogen 3.011 N/A LEU 113.A N LEU 109.A O no hydrogen 3.153 N/A LEU 113.A N PRO 110.A O no hydrogen 3.051 N/A LEU 114.A N PRO 110.A O no hydrogen 2.743 N/A ASN 117.A N ASP 115.A OD1 no hydrogen 3.012 N/A ASN 118.A N ASP 115.A O no hydrogen 2.811 N/A ASN 118.A ND2 PHE 43.A O no hydrogen 2.718 N/A ASN 118.A ND2 GLN 112.A O no hydrogen 2.935 N/A ILE 119.A N MET 45.A O no hydrogen 2.961 N/A GLN 120.A N ASN 118.A OD1 no hydrogen 2.704 N/A SER 121.A N ASN 118.A O no hydrogen 3.302 N/A SER 121.A OG GLN 112.A O no hydrogen 3.275 N/A SER 121.A OG LEU 113.A O no hydrogen 3.374 N/A SER 121.A OG ASN 118.A O no hydrogen 3.095 N/A TYR 124.A N SER 121.A O no hydrogen 2.973 N/A TYR 124.A OH ASN 85.A OD1 no hydrogen 2.932 N/A HIS 125.A N GLN 122.A O no hydrogen 3.146 N/A ARG 127.A NH1 LYS 95.A O no hydrogen 3.531 N/A ARG 127.A NH2 THR 91.A O no hydrogen 2.858 N/A SER 129.A N ILE 97.A O no hydrogen 2.940 N/A SER 129.A OG PRO 176.A O no hydrogen 3.149 N/A PHE 130.A N LYS 177.A O no hydrogen 2.825 N/A ILE 131.A N VAL 99.A O no hydrogen 2.908 N/A ASP 132.A N LEU 179.A O no hydrogen 2.770 N/A ILE 133.A N ASN 101.A O no hydrogen 3.233 N/A TYR 135.A N ASP 134.A OD1 no hydrogen 2.645 N/A SER 136.A OG ASP 171.A OD1 no hydrogen 2.654 N/A LEU 139.A N TYR 135.A O no hydrogen 3.175 N/A LYS 140.A N SER 136.A O no hydrogen 3.058 N/A ILE 141.A N ASP 137.A O no hydrogen 3.463 N/A LYS 142.A N LEU 138.A O no hydrogen 3.071 N/A LYS 142.A NZ GLY 105.A O no hydrogen 2.869 N/A LYS 142.A NZ ASP 107.A O no hydrogen 3.029 N/A LYS 142.A NZ ASP 132.A OD2 no hydrogen 2.917 N/A ILE 143.A N LEU 139.A O no hydrogen 2.846 N/A ILE 143.A N LYS 140.A O no hydrogen 3.054 N/A GLU 144.A N LYS 140.A O no hydrogen 2.969 N/A LEU 145.A N ILE 141.A O no hydrogen 3.143 N/A ILE 146.A N LYS 142.A O no hydrogen 3.136 N/A LYS 147.A N ILE 143.A O no hydrogen 2.963 N/A THR 148.A N GLU 144.A O no hydrogen 2.893 N/A THR 148.A OG1 GLU 144.A O no hydrogen 2.518 N/A ILE 149.A N LEU 145.A O no hydrogen 2.942 N/A LEU 152.A N ILE 149.A O no hydrogen 2.694 N/A SER 153.A N ILE 149.A O no hydrogen 3.189 N/A SER 153.A OG ILE 146.A O no hydrogen 2.663 N/A SER 153.A OG LYS 147.A O no hydrogen 3.008 N/A LYS 154.A N PRO 150.A O no hydrogen 2.855 N/A LYS 154.A NZ GLU 160.A OE1 no hydrogen 3.298 N/A LYS 154.A NZ GLU 160.A OE2 no hydrogen 3.389 N/A ILE 155.A N LEU 152.A O no hydrogen 2.921 N/A GLY 157.A N SER 153.A O no hydrogen 3.051 N/A ASP 163.A N ASP 161.A OD2 no hydrogen 2.833 N/A TYR 164.A N ASP 161.A O no hydrogen 3.154 N/A SER 168.A N ASP 166.A OD1 no hydrogen 3.218 N/A SER 168.A OG ASP 166.A OD1 no hydrogen 2.937 N/A LEU 173.A N ALA 180.A O no hydrogen 3.274 N/A THR 175.A N TYR 178.A O no hydrogen 2.808 N/A THR 175.A OG1 TYR 178.A O no hydrogen 2.613 N/A LYS 177.A NZ HIS 125.A O no hydrogen 2.877 N/A LYS 177.A NZ ASP 126.A O no hydrogen 2.765 N/A TYR 178.A N THR 175.A OG1 no hydrogen 2.802 N/A TYR 178.A OH ASP 132.A OD2 no hydrogen 2.549 N/A LEU 179.A N PHE 130.A O no hydrogen 2.816 N/A ALA 180.A N LEU 173.A O no hydrogen 3.004 N/A ARG 181.A N ASP 132.A O no hydrogen 2.758 N/A ARG 181.A NH1 LEU 173.A O no hydrogen 2.870 N/A ARG 181.A NH1 THR 174.A OG1 no hydrogen 3.214 N/A ARG 181.A NH1 ALA 180.A O no hydrogen 2.896 N/A ARG 181.A NH2 THR 174.A OG1 no hydrogen 2.937 N/A CYS 183.A N ASP 134.A O no hydrogen 3.216 N/A ASN 186.A N ASP 184.A OD1 no hydrogen 2.921 N/A ASP 187.A N ASP 184.A O no hydrogen 2.782 N/A MET 190.A N ASP 187.A OD1 no hydrogen 3.405 N/A PHE 191.A N ASP 187.A O no hydrogen 3.124 N/A SER 192.A N SER 188.A O no hydrogen 3.007 N/A SER 192.A OG SER 188.A O no hydrogen 2.742 N/A THR 193.A N LYS 189.A O no hydrogen 3.157 N/A THR 193.A OG1 LYS 189.A O no hydrogen 2.714 N/A LEU 194.A N MET 190.A O no hydrogen 2.998 N/A LEU 195.A N PHE 191.A O no hydrogen 2.908 N/A ASN 196.A N THR 193.A O no hydrogen 2.982 N/A GLU 197.A N THR 193.A O no hydrogen 2.992 N/A CYS 198.A N LEU 194.A O no hydrogen 3.041 N/A CYS 198.A SG LEU 194.A O no hydrogen 3.452 N/A GLN 199.A N ASN 196.A O no hydrogen 2.640 N/A LEU 200.A N LEU 195.A O no hydrogen 3.056 N/A ASN 204.A N ASP 202.A OD1 no hydrogen 2.756 N/A VAL 205.A N ASP 202.A O no hydrogen 3.159 N/A VAL 206.A N LYS 96.A O no hydrogen 3.052 N/A LYS 207.A N ASN 235.A O no hydrogen 3.090 N/A LYS 207.A NZ LEU 200.A O no hydrogen 2.967 N/A LYS 207.A NZ ASP 202.A O no hydrogen 2.888 N/A LYS 207.A NZ VAL 205.A O no hydrogen 2.762 N/A LYS 207.A NZ GLU 234.A O no hydrogen 2.734 N/A VAL 208.A N VAL 98.A O no hydrogen 2.713 N/A PHE 209.A N HIS 237.A O no hydrogen 2.724 N/A VAL 210.A N VAL 100.A O no hydrogen 2.934 N/A ALA 211.A N ILE 239.A O no hydrogen 2.722 N/A VAL 213.A N LEU 241.A O no hydrogen 2.736 N/A SER 214.A OG GLY 103.A O no hydrogen 3.278 N/A SER 214.A OG GLU 212.A O no hydrogen 3.451 N/A SER 214.A OG VAL 213.A O no hydrogen 2.975 N/A TYR 217.A N SER 214.A O no hydrogen 3.314 N/A GLU 221.A N GLU 221.A OE2 no hydrogen 2.637 N/A SER 223.A N LYS 219.A O no hydrogen 2.999 N/A SER 223.A OG LYS 219.A O no hydrogen 3.475 N/A SER 223.A OG PRO 220.A O no hydrogen 3.060 N/A SER 223.A OG SER 270.A OG no hydrogen 3.079 N/A ASP 224.A N PRO 220.A O no hydrogen 2.766 N/A SER 225.A N GLU 221.A O no hydrogen 3.298 N/A SER 225.A OG GLU 221.A O no hydrogen 3.015 N/A ILE 227.A N SER 223.A O no hydrogen 3.158 N/A GLU 228.A N ASP 224.A O no hydrogen 3.025 N/A ALA 229.A N SER 225.A O no hydrogen 2.783 N/A THR 230.A N ILE 226.A O no hydrogen 3.378 N/A THR 230.A OG1 ILE 227.A O no hydrogen 2.660 N/A SER 231.A N ILE 227.A O no hydrogen 3.321 N/A SER 231.A N GLU 228.A O no hydrogen 3.023 N/A SER 231.A OG GLU 228.A O no hydrogen 2.613 N/A SER 231.A OG LEU 287.A O no hydrogen 3.168 N/A MET 233.A N THR 230.A O no hydrogen 2.799 N/A ASN 235.A ND2 PRO 203.A O no hydrogen 2.634 N/A SER 236.A N ASN 338.A OD1 no hydrogen 2.885 N/A SER 236.A OG MET 233.A O no hydrogen 3.012 N/A HIS 237.A N LYS 207.A O no hydrogen 2.595 N/A HIS 237.A NE2 TYR 339.A OH no hydrogen 2.711 N/A PHE 238.A N ALA 336.A O no hydrogen 2.763 N/A ILE 239.A N PHE 209.A O no hydrogen 2.618 N/A ILE 240.A N CYS 334.A O no hydrogen 2.974 N/A LEU 241.A N ALA 211.A O no hydrogen 2.900 N/A GLU 242.A N VAL 332.A O no hydrogen 3.256 N/A LEU 244.A N HIS 330.A O no hydrogen 2.974 N/A ILE 245.A N ASN 275.A O no hydrogen 3.021 N/A LYS 247.A NZ ASP 611.A OD1 no hydrogen 3.039 N/A GLY 248.A N ILE 245.A O no hydrogen 2.783 N/A GLU 251.A N GLY 248.A O no hydrogen 3.413 N/A SER 254.A N GLU 251.A OE2 no hydrogen 2.932 N/A SER 254.A OG GLY 248.A O no hydrogen 3.460 N/A LYS 255.A N GLU 251.A O no hydrogen 2.699 N/A LYS 255.A NZ TRP 636.A O no hydrogen 2.980 N/A LYS 255.A NZ GLU 637.A O no hydrogen 3.148 N/A MET 257.A N PHE 253.A O no hydrogen 3.015 N/A LEU 258.A N SER 254.A O no hydrogen 3.140 N/A ALA 259.A N LYS 255.A O no hydrogen 3.351 N/A HIS 260.A N GLN 256.A O no hydrogen 2.894 N/A PHE 261.A N MET 257.A O no hydrogen 3.277 N/A LYS 262.A N LEU 258.A O no hydrogen 2.994 N/A ARG 263.A N ALA 259.A O no hydrogen 3.186 N/A ASN 264.A N HIS 260.A O no hydrogen 3.136 N/A ASP 265.A N LYS 262.A O no hydrogen 2.961 N/A SER 266.A N PHE 261.A O no hydrogen 2.898 N/A GLN 269.A N ALA 216.A O no hydrogen 3.274 N/A SER 270.A OG LEU 215.A O no hydrogen 2.958 N/A SER 270.A OG MET 218.A O no hydrogen 2.567 N/A SER 270.A OG SER 223.A OG no hydrogen 3.079 N/A LEU 272.A N GLN 269.A O no hydrogen 2.934 N/A LYS 273.A N SER 270.A O no hydrogen 2.963 N/A TYR 274.A N SER 270.A O no hydrogen 2.971 N/A TYR 274.A OH ASP 224.A OD1 no hydrogen 3.373 N/A TYR 274.A OH ASP 224.A OD2 no hydrogen 2.455 N/A SER 279.A N THR 276.A OG1 no hydrogen 3.347 N/A GLN 280.A N ILE 277.A O no hydrogen 2.925 N/A GLN 280.A NE2 GLU 242.A OE2 no hydrogen 3.434 N/A VAL 281.A N ILE 277.A O no hydrogen 3.353 N/A GLN 282.A N GLU 278.A O no hydrogen 3.202 N/A ARG 283.A N SER 279.A O no hydrogen 3.314 N/A ARG 283.A NE ASP 224.A OD1 no hydrogen 2.977 N/A ARG 283.A NH1 GLU 242.A OE2 no hydrogen 3.147 N/A ARG 283.A NH1 GLN 280.A OE1 no hydrogen 3.018 N/A ARG 283.A NH2 ASP 224.A OD1 no hydrogen 3.374 N/A PHE 284.A N GLN 280.A O no hydrogen 2.981 N/A ASN 285.A N VAL 281.A O no hydrogen 2.939 N/A ASN 285.A ND2 PHE 289.A O no hydrogen 2.860 N/A LYS 286.A N GLN 282.A O no hydrogen 2.846 N/A LEU 287.A N ARG 283.A O no hydrogen 3.039 N/A GLY 288.A N ASN 285.A O no hydrogen 3.185 N/A TYR 291.A N THR 337.A O no hydrogen 3.290 N/A ASN 293.A N HIS 335.A O no hydrogen 2.813 N/A ASN 293.A ND2 PHE 348.A O no hydrogen 3.204 N/A GLY 295.A N LEU 333.A O no hydrogen 3.155 N/A MET 297.A N TYR 331.A O no hydrogen 3.016 N/A PHE 298.A N ASP 296.A OD1 no hydrogen 3.063 N/A GLN 299.A N ASP 296.A O no hydrogen 3.019 N/A GLN 299.A N ASP 296.A OD1 no hydrogen 3.242 N/A LEU 300.A N ASP 296.A O no hydrogen 3.362 N/A TRP 301.A N MET 297.A O no hydrogen 2.957 N/A TRP 301.A NE1 THR 552.A OG1 no hydrogen 2.748 N/A GLU 302.A N PHE 298.A O no hydrogen 3.015 N/A SER 303.A N GLN 299.A O no hydrogen 3.107 N/A ALA 304.A N TRP 301.A O no hydrogen 3.142 N/A THR 308.A N ASP 305.A O no hydrogen 2.739 N/A THR 308.A N ASP 305.A OD2 no hydrogen 2.922 N/A THR 308.A OG1 ASP 305.A OD2 no hydrogen 2.621 N/A LYS 309.A N ASP 305.A O no hydrogen 3.250 N/A LYS 309.A NZ GLU 302.A O no hydrogen 3.347 N/A LYS 309.A NZ ALA 304.A O no hydrogen 3.020 N/A LYS 310.A N GLU 306.A O no hydrogen 3.139 N/A LEU 312.A N THR 308.A O no hydrogen 3.025 N/A LEU 313.A N LYS 309.A O no hydrogen 2.839 N/A LYS 314.A N GLU 311.A O no hydrogen 3.054 N/A VAL 315.A N LEU 312.A O no hydrogen 2.902 N/A ASP 319.A N GLU 320.A OE1 no hydrogen 2.926 N/A GLU 322.A N GLU 322.A OE1 no hydrogen 2.873 N/A PHE 324.A N GLU 320.A O no hydrogen 3.292 N/A HIS 325.A N LEU 321.A O no hydrogen 2.914 N/A LEU 326.A N GLU 322.A O no hydrogen 3.247 N/A PHE 327.A N GLU 323.A O no hydrogen 2.925 N/A CYS 328.A N PHE 324.A O no hydrogen 2.954 N/A CYS 328.A SG PHE 324.A O no hydrogen 3.252 N/A HIS 329.A N HIS 325.A O no hydrogen 3.061 N/A HIS 329.A ND1 ASP 296.A OD2 no hydrogen 2.996 N/A HIS 329.A NE2 SER 605.A O no hydrogen 2.829 N/A HIS 330.A N PHE 327.A O no hydrogen 2.869 N/A TYR 331.A N CYS 328.A O no hydrogen 3.229 N/A TYR 331.A OH GLN 243.A OE1 no hydrogen 3.263 N/A VAL 332.A N GLU 242.A O no hydrogen 2.795 N/A LEU 333.A N GLY 295.A O no hydrogen 2.799 N/A CYS 334.A N ILE 240.A O no hydrogen 2.997 N/A HIS 335.A N ASN 293.A O no hydrogen 2.897 N/A ALA 336.A N PHE 238.A O no hydrogen 2.822 N/A THR 337.A N TYR 291.A O no hydrogen 2.723 N/A THR 337.A OG1 HIS 237.A ND1 no hydrogen 3.301 N/A ASN 338.A N SER 236.A O no hydrogen 3.105 N/A ASN 338.A ND2 SER 231.A O no hydrogen 2.868 N/A ASN 338.A ND2 MET 233.A O no hydrogen 2.759 N/A TYR 339.A OH HIS 237.A NE2 no hydrogen 2.711 N/A GLY 347.A N THR 345.A OG1 no hydrogen 3.306 N/A PHE 348.A N THR 345.A O no hydrogen 2.857 N/A LEU 349.A N THR 345.A O no hydrogen 3.034 N/A PHE 350.A N ASN 293.A OD1 no hydrogen 2.977 N/A ASP 362.A N SER 628.A O no hydrogen 2.819 N/A ASP 364.A N ASP 362.A OD2 no hydrogen 2.792 N/A TYR 365.A N ASP 362.A OD2 no hydrogen 3.010 N/A GLN 366.A N ILE 677.A O no hydrogen 3.206 N/A LEU 368.A N LYS 675.A O no hydrogen 3.097 N/A GLU 369.A N GLU 369.A OE2 no hydrogen 2.843 N/A CYS 370.A N GLY 673.A O no hydrogen 3.280 N/A CYS 370.A SG HIS 408.A O no hydrogen 3.885 N/A CYS 370.A SG HIS 655.A ND1 no hydrogen 3.393 N/A CYS 372.A N VAL 672.A O no hydrogen 2.861 N/A ILE 374.A N CYS 372.A O no hydrogen 2.632 N/A ARG 376.A NE ILE 374.A O no hydrogen 2.945 N/A ARG 376.A NH1 GLU 401.A OE1 no hydrogen 3.027 N/A ARG 376.A NH2 GLU 401.A OE1 no hydrogen 3.464 N/A LYS 377.A N SER 394.A O no hydrogen 2.954 N/A PHE 378.A N GLY 645.A O no hydrogen 2.992 N/A GLY 379.A N TYR 390.A OH no hydrogen 2.871 N/A VAL 381.A N ASP 380.A OD1 no hydrogen 2.824 N/A ASP 382.A N PHE 389.A O no hydrogen 3.283 N/A VAL 383.A N ASP 382.A OD1 no hydrogen 2.637 N/A ALA 384.A N ASP 387.A O no hydrogen 2.877 N/A GLY 385.A N ASN 439.A OD1 no hydrogen 3.136 N/A ASP 387.A N ALA 384.A O no hydrogen 2.922 N/A PHE 389.A N ASP 382.A O no hydrogen 3.229 N/A TYR 390.A N LEU 403.A O no hydrogen 2.794 N/A MET 391.A N ASP 380.A O no hydrogen 3.071 N/A GLY 392.A N GLU 401.A O no hydrogen 3.125 N/A GLY 393.A N ARG 428.A O no hydrogen 2.933 N/A SER 394.A N LYS 377.A O no hydrogen 3.002 N/A ASN 395.A N TYR 397.A O no hydrogen 2.839 N/A VAL 399.A N GLY 393.A O no hydrogen 2.742 N/A LEU 403.A N TYR 390.A O no hydrogen 2.680 N/A GLN 404.A N LYS 415.A O no hydrogen 3.033 N/A LEU 405.A N VAL 388.A O no hydrogen 3.007 N/A SER 406.A N ASP 413.A O no hydrogen 2.809 N/A ASP 413.A N SER 406.A O no hydrogen 2.825 N/A LYS 415.A N GLN 404.A O no hydrogen 3.241 N/A ILE 417.A N ILE 402.A O no hydrogen 3.180 N/A SER 420.A N ARG 466.A O no hydrogen 2.863 N/A SER 421.A OG GLU 423.A O no hydrogen 2.825 N/A SER 421.A OG TRP 468.A O no hydrogen 3.538 N/A ARG 428.A N VAL 399.A O no hydrogen 3.439 N/A ARG 428.A NE VAL 426.A O no hydrogen 3.037 N/A ARG 428.A NH1 GLY 446.A O no hydrogen 3.076 N/A ARG 428.A NH1 ASP 457.A O no hydrogen 2.919 N/A ARG 428.A NH2 VAL 426.A O no hydrogen 3.549 N/A ARG 428.A NH2 ASP 457.A OD1 no hydrogen 2.704 N/A MET 429.A N ARG 448.A O no hydrogen 2.975 N/A CYS 430.A N PHE 378.A O no hydrogen 3.000 N/A HIS 431.A NE2 MET 391.A O no hydrogen 3.127 N/A THR 432.A N ILE 445.A O no hydrogen 3.105 N/A THR 432.A OG1 HIS 481.A NE2 no hydrogen 2.967 N/A PHE 433.A N ASP 380.A OD2 no hydrogen 3.136 N/A THR 434.A N LEU 443.A O no hydrogen 3.070 N/A THR 435.A N ASP 382.A OD2 no hydrogen 3.005 N/A THR 435.A OG1 VAL 383.A O no hydrogen 2.949 N/A ILE 436.A N GLN 441.A O no hydrogen 3.022 N/A SER 437.A OG GLN 441.A OE1 no hydrogen 2.924 N/A ASN 440.A N ILE 436.A O no hydrogen 3.343 N/A ASN 440.A N SER 437.A O no hydrogen 2.796 N/A ASN 440.A ND2 SER 437.A O no hydrogen 3.176 N/A ASN 440.A ND2 ARG 438.A O no hydrogen 2.795 N/A GLN 441.A N ILE 436.A O no hydrogen 3.338 N/A GLN 441.A NE2 ASP 462.A OD1 no hydrogen 3.134 N/A LEU 442.A N PHE 461.A O no hydrogen 2.805 N/A LEU 443.A N THR 434.A O no hydrogen 2.653 N/A LEU 444.A N TRP 459.A O no hydrogen 2.780 N/A ILE 445.A N THR 432.A O no hydrogen 3.005 N/A GLY 446.A N ASN 458.A OD1 no hydrogen 3.026 N/A GLY 447.A N ARG 478.A O no hydrogen 2.743 N/A ARG 448.A N MET 429.A O no hydrogen 2.889 N/A ARG 448.A NH1 LYS 449.A O no hydrogen 3.012 N/A LYS 449.A N GLN 453.A O no hydrogen 3.131 N/A ALA 450.A N GLN 453.A OE1 no hydrogen 3.063 N/A HIS 452.A N HIS 452.A ND1 no hydrogen 2.788 N/A GLN 453.A N ALA 450.A O no hydrogen 2.729 N/A LEU 455.A N GLY 447.A O no hydrogen 2.767 N/A ASN 458.A ND2 LYS 472.A O no hydrogen 3.187 N/A TRP 459.A N LEU 444.A O no hydrogen 2.764 N/A TRP 459.A NE1 ASP 457.A OD1 no hydrogen 3.203 N/A ILE 460.A N SER 469.A O no hydrogen 2.877 N/A PHE 461.A N LEU 442.A O no hydrogen 2.743 N/A ASP 462.A N GLU 467.A O no hydrogen 3.187 N/A MET 463.A N ASN 440.A O no hydrogen 3.359 N/A THR 465.A N ASP 462.A OD2 no hydrogen 2.799 N/A THR 465.A OG1 ASP 462.A OD2 no hydrogen 2.778 N/A TRP 468.A N SER 421.A OG no hydrogen 3.029 N/A SER 469.A N ILE 460.A O no hydrogen 3.021 N/A LEU 474.A N SER 456.A O no hydrogen 2.905 N/A ARG 478.A N LEU 455.A O no hydrogen 3.039 N/A ARG 478.A NH2 PRO 501.A O no hydrogen 2.967 N/A ARG 480.A N CYS 430.A O no hydrogen 2.823 N/A ARG 480.A NE ASP 319.A OD1 no hydrogen 2.866 N/A ARG 480.A NH1 GLU 322.A OE2 no hydrogen 3.034 N/A ARG 480.A NH1 SER 529.A OG no hydrogen 2.907 N/A ARG 480.A NH2 ASP 319.A O no hydrogen 3.281 N/A ARG 480.A NH2 GLU 322.A OE1 no hydrogen 2.940 N/A ARG 480.A NH2 GLU 322.A OE2 no hydrogen 3.372 N/A HIS 481.A NE2 THR 432.A OG1 no hydrogen 2.967 N/A SER 482.A N LEU 494.A O no hydrogen 3.037 N/A SER 482.A OG ALA 530.A O no hydrogen 2.668 N/A LEU 486.A N ASN 490.A O no hydrogen 2.682 N/A GLY 489.A N LEU 486.A O no hydrogen 3.022 N/A ASN 490.A N ASP 488.A OD1 no hydrogen 2.651 N/A ASN 490.A ND2 ASP 488.A OD2 no hydrogen 3.439 N/A VAL 491.A N TYR 506.A O no hydrogen 3.376 N/A LEU 492.A N CYS 484.A O no hydrogen 3.312 N/A ILE 493.A N LEU 504.A O no hydrogen 2.826 N/A LEU 494.A N SER 482.A O no hydrogen 2.777 N/A GLY 495.A N ALA 502.A O no hydrogen 2.679 N/A GLY 496.A N LEU 527.A O no hydrogen 2.745 N/A VAL 497.A N PHE 479.A O no hydrogen 2.835 N/A THR 498.A OG1 THR 477.A O no hydrogen 2.525 N/A GLY 500.A N THR 498.A OG1 no hydrogen 2.988 N/A ALA 502.A N THR 517.A OG1 no hydrogen 3.250 N/A MET 503.A N THR 517.A OG1 no hydrogen 3.359 N/A LEU 504.A N ILE 493.A O no hydrogen 2.815 N/A LEU 505.A N LYS 514.A O no hydrogen 2.967 N/A TYR 506.A N VAL 491.A O no hydrogen 3.073 N/A ASN 507.A N ILE 512.A O no hydrogen 2.831 N/A VAL 508.A N ASN 490.A OD1 no hydrogen 2.894 N/A GLU 510.A N ASN 507.A OD1 no hydrogen 2.871 N/A GLU 511.A N VAL 508.A O no hydrogen 3.131 N/A ILE 512.A N ASN 507.A O no hydrogen 3.249 N/A VAL 516.A N MET 503.A O no hydrogen 2.909 N/A THR 517.A N ASP 515.A OD1 no hydrogen 3.188 N/A THR 517.A OG1 ASP 515.A OD1 no hydrogen 3.090 N/A LYS 519.A NZ GLU 570.A OE1 no hydrogen 3.012 N/A PHE 522.A N ASP 520.A OD1 no hydrogen 2.865 N/A PHE 523.A N ASP 520.A O no hydrogen 3.050 N/A GLN 524.A N GLU 521.A O no hydrogen 3.454 N/A SER 526.A OG GLY 496.A O no hydrogen 2.671 N/A VAL 528.A N GLY 547.A O no hydrogen 2.581 N/A SER 529.A N ARG 480.A O no hydrogen 2.849 N/A GLY 531.A N LEU 544.A O no hydrogen 2.845 N/A GLU 533.A N ILE 542.A O no hydrogen 3.307 N/A PHE 534.A N GLU 533.A OE1 no hydrogen 2.962 N/A ASP 535.A N GLN 540.A O no hydrogen 2.763 N/A SER 538.A N ASP 535.A OD2 no hydrogen 2.964 N/A SER 538.A OG ASP 535.A OD2 no hydrogen 2.664 N/A GLN 540.A N ASP 535.A O no hydrogen 3.360 N/A GLY 541.A N PHE 561.A O no hydrogen 2.965 N/A ILE 542.A N GLU 533.A O no hydrogen 2.892 N/A ILE 543.A N ILE 559.A O no hydrogen 2.652 N/A LEU 544.A N GLY 531.A O no hydrogen 2.841 N/A GLY 545.A N LYS 557.A O no hydrogen 3.112 N/A GLY 546.A N ARG 585.A O no hydrogen 2.764 N/A GLY 547.A N VAL 528.A O no hydrogen 2.824 N/A PHE 548.A N THR 553.A O no hydrogen 3.100 N/A GLN 551.A N PHE 548.A O no hydrogen 3.019 N/A THR 552.A N ASP 550.A OD1 no hydrogen 2.699 N/A THR 552.A OG1 ASP 550.A O no hydrogen 3.120 N/A THR 553.A N ASP 550.A OD1 no hydrogen 2.818 N/A THR 553.A OG1 ASP 550.A OD2 no hydrogen 2.970 N/A SER 555.A N GLY 546.A O no hydrogen 2.746 N/A LYS 557.A N SER 555.A OG no hydrogen 2.969 N/A LYS 557.A NZ ASP 556.A OD1 no hydrogen 2.905 N/A ALA 558.A N LEU 578.A O no hydrogen 2.714 N/A ILE 559.A N ILE 543.A O no hydrogen 2.589 N/A ILE 560.A N LYS 576.A O no hydrogen 2.962 N/A PHE 561.A N GLY 541.A O no hydrogen 2.868 N/A LYS 562.A N THR 573.A O no hydrogen 2.994 N/A TYR 563.A OH ASP 488.A OD2 no hydrogen 2.480 N/A ASP 564.A N PRO 571.A O no hydrogen 2.668 N/A GLU 566.A N GLU 566.A OE1 no hydrogen 2.811 N/A ASN 567.A N ASP 564.A O no hydrogen 3.048 N/A THR 569.A N ASN 567.A OD1 no hydrogen 3.056 N/A GLU 570.A N ASN 567.A OD1 no hydrogen 3.201 N/A THR 573.A N LYS 562.A O no hydrogen 3.427 N/A ILE 575.A N ILE 560.A O no hydrogen 2.846 N/A LYS 576.A N ILE 560.A O no hydrogen 3.456 N/A LYS 576.A NZ PRO 621.A O no hydrogen 2.916 N/A LYS 577.A NZ ASP 520.A OD1 no hydrogen 2.753 N/A LYS 577.A NZ ASP 520.A OD2 no hydrogen 3.282 N/A LEU 578.A N ALA 558.A O no hydrogen 2.812 N/A GLN 579.A NE2 ASP 556.A OD2 no hydrogen 2.923 N/A HIS 580.A N ASP 556.A O no hydrogen 3.366 N/A PHE 583.A N HIS 580.A O no hydrogen 2.779 N/A GLN 584.A N PRO 581.A O no hydrogen 3.119 N/A GLN 584.A NE2 VAL 554.A O no hydrogen 3.372 N/A ARG 585.A N PHE 583.A O no hydrogen 2.590 N/A ARG 585.A NE LEU 582.A O no hydrogen 2.782 N/A ARG 585.A NH1 GLY 602.A O no hydrogen 2.740 N/A ARG 585.A NH1 SER 615.A O no hydrogen 3.524 N/A ARG 585.A NH2 ASN 614.A O no hydrogen 2.832 N/A TYR 586.A N THR 604.A O no hydrogen 2.724 N/A GLY 587.A N SER 529.A O no hydrogen 2.995 N/A GLN 589.A N VAL 601.A O no hydrogen 3.220 N/A LYS 591.A N LEU 599.A O no hydrogen 2.987 N/A ILE 593.A N LYS 597.A O no hydrogen 3.070 N/A THR 594.A N LYS 597.A O no hydrogen 3.424 N/A ARG 596.A N THR 594.A OG1 no hydrogen 3.096 N/A LYS 597.A N THR 594.A O no hydrogen 3.094 N/A LYS 597.A NZ ASP 362.A OD1 no hydrogen 2.765 N/A LYS 597.A NZ ASP 362.A OD2 no hydrogen 2.887 N/A LEU 598.A N LEU 619.A O no hydrogen 2.987 N/A LEU 599.A N LYS 591.A O no hydrogen 2.631 N/A ILE 600.A N ILE 617.A O no hydrogen 3.038 N/A VAL 601.A N GLN 589.A O no hydrogen 3.152 N/A GLY 602.A N SER 615.A O no hydrogen 3.050 N/A GLY 603.A N LEU 643.A O no hydrogen 3.086 N/A THR 604.A N TYR 586.A O no hydrogen 2.984 N/A THR 604.A OG1 TYR 586.A O no hydrogen 3.568 N/A SER 605.A OG GLN 584.A O no hydrogen 3.069 N/A SER 605.A OG SER 607.A OG no hydrogen 2.824 N/A SER 607.A N SER 605.A OG no hydrogen 3.157 N/A SER 607.A OG SER 605.A OG no hydrogen 2.824 N/A ASP 611.A N ASN 614.A OD1 no hydrogen 2.823 N/A ARG 612.A NE ILE 631.A O no hydrogen 3.152 N/A ARG 612.A NH2 ILE 631.A O no hydrogen 3.487 N/A THR 613.A N ASP 611.A OD2 no hydrogen 2.735 N/A THR 613.A OG1 ASP 611.A OD2 no hydrogen 3.049 N/A ASN 614.A N ASP 611.A OD2 no hydrogen 3.133 N/A SER 615.A N ASP 611.A O no hydrogen 3.032 N/A SER 615.A OG ASP 611.A O no hydrogen 2.743 N/A ILE 617.A N ILE 600.A O no hydrogen 3.095 N/A SER 618.A N THR 627.A O no hydrogen 2.846 N/A SER 618.A OG ASP 362.A OD1 no hydrogen 3.434 N/A SER 618.A OG THR 627.A OG1 no hydrogen 2.640 N/A LEU 619.A N LEU 598.A O no hydrogen 3.217 N/A ASP 620.A N THR 625.A O no hydrogen 3.059 N/A SER 623.A N ASP 620.A OD1 no hydrogen 3.480 N/A SER 623.A OG ASP 620.A OD2 no hydrogen 2.787 N/A GLU 624.A N ASP 620.A O no hydrogen 2.536 N/A THR 627.A N SER 618.A O no hydrogen 2.986 N/A THR 627.A OG1 ASP 362.A OD1 no hydrogen 2.755 N/A THR 627.A OG1 SER 618.A OG no hydrogen 2.640 N/A SER 628.A N THR 360.A O no hydrogen 2.783 N/A SER 628.A OG THR 613.A O no hydrogen 2.523 N/A ILE 629.A N ILE 616.A O no hydrogen 3.135 N/A ILE 631.A N ARG 612.A O no hydrogen 3.021 N/A ILE 635.A N SER 632.A OG no hydrogen 3.321 N/A TRP 636.A N SER 632.A O no hydrogen 3.001 N/A GLU 637.A N ARG 633.A O no hydrogen 2.906 N/A ASP 638.A N ARG 634.A O no hydrogen 2.677 N/A ALA 644.A N MET 642.A O no hydrogen 2.903 N/A SER 647.A N ILE 657.A O no hydrogen 2.819 N/A VAL 649.A N HIS 655.A O no hydrogen 3.213 N/A SER 650.A OG THR 653.A O no hydrogen 3.443 N/A THR 651.A OG1 SER 650.A O no hydrogen 2.819 N/A ILE 654.A N LEU 676.A O no hydrogen 3.315 N/A HIS 655.A N VAL 649.A O no hydrogen 2.817 N/A ILE 656.A N LEU 674.A O no hydrogen 2.742 N/A ILE 657.A N SER 647.A O no hydrogen 3.052 N/A GLY 659.A N ARG 376.A O no hydrogen 3.111 N/A GLY 660.A N ALA 644.A O no hydrogen 2.983 N/A ALA 661.A N VAL 669.A O no hydrogen 3.267 N/A THR 662.A N GLU 323.A OE2 no hydrogen 3.219 N/A THR 662.A OG1 GLU 323.A OE1 no hydrogen 3.295 N/A TYR 664.A OH ILE 69.A O no hydrogen 3.382 N/A PHE 666.A N CYS 663.A O no hydrogen 2.948 N/A VAL 669.A N ALA 661.A O no hydrogen 2.949 N/A ASN 671.A N GLY 659.A O no hydrogen 2.712 N/A VAL 672.A N SER 640.A O no hydrogen 3.132 N/A LEU 674.A N ILE 656.A O no hydrogen 3.033 N/A LYS 675.A N LEU 368.A O no hydrogen 3.277 N/A LYS 675.A NZ TYR 409.A O no hydrogen 2.641 N/A LEU 676.A N ILE 654.A O no hydrogen 3.008 N/A ILE 677.A N GLN 366.A O no hydrogen 3.277 N/A ILE 679.A N ASP 364.A O no hydrogen 2.540 N/A